(phenylmethyl) (2S)-2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-[allyl(p-tolylsulfonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[allyl(tosyl)amino]-3-phenyl-propionic acid benzyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO4S/c1-3-18-27(32(29,30)24-16-14-21(2)15-17-24)25(19-22-10-6-4-7-11-22)26(28)31-20-23-12-8-5-9-13-23/h3-17,25H,1,18-20H2,2H3/t25-/m0/s1